Ferroelastic domains drive charge separation and suppress electron–hole recombination in all-inorganic halide perovskites: time-domain ab initio analysis

• Published in: Nanoscale horizons Vol. 5; no. 4; pp. 683 - 690
• Main Authors: Shi, Ran, Zhang, Zhaosheng, Fang, Wei-hai, Long, Run
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 01.04.2020
• Subjects: Broken symmetry; Carrier lifetime; Coupling (molecular); Current carriers; Density functional theory; Electrons; Molecular dynamics; Perovskites; Phonons; Time domain analysis; Wave functions

All-inorganic perovskites have great potential in photovoltaic applications and their performance is subject to phonon-assisted charge recombination dynamics. Local microstructures, such as ferroelastic domains, are considered to have a significant influence on the charge carrier lifetime in the CsP...